4-[methyl(pentyl)amino]benzaldehyde

C13H19NO — CID 43295080

IUPAC4-[methyl(pentyl)amino]benzaldehyde
SMILESCCCCCN(C)c1ccc(C=O)cc1
InChIInChI=1S/C13H19NO/c1-3-4-5-10-14(2)13-8-6-12(11-15)7-9-13/h6-9,11H,3-5,10H2,1-2H3
InChIKeyLISIEHHWHQMCML-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.13
Rot. Bonds6

About 4-[methyl(pentyl)amino]benzaldehyde

4-[methyl(pentyl)amino]benzaldehyde (PubChem CID 43295080) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[methyl(pentyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[methyl(pentyl)amino]benzaldehyde
PubChem CID43295080
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-[methyl(pentyl)amino]benzaldehyde
SMILESCCCCCN(C)c1ccc(C=O)cc1
InChIInChI=1S/C13H19NO/c1-3-4-5-10-14(2)13-8-6-12(11-15)7-9-13/h6-9,11H,3-5,10H2,1-2H3
InChIKeyLISIEHHWHQMCML-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-nonadec-1-enyl-N-octadecylaniline;N-methyl-4-nonadecyl-N-octadecylaniline;4-[methyl(octadecyl)amino]benzaldehyde
CID 160695648
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
4-[2-aminoethyl(methyl)amino]benzaldehyde
CID 138510674
4-(dibutylamino)benzaldehyde
CID 605391
4-[pentyl(prop-2-enyl)amino]benzaldehyde
CID 88509633
N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline
CID 71341716
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
4-[N-[5-(dibutylamino)pentyl]-4-formylanilino]benzaldehyde
CID 88511244
N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline
CID 67935384
N-methyl-4-[2-[1-[5-[4-[2-[4-[methyl(octadecyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-yl]ethenyl]-N-octadecylaniline
CID 91006183
4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methyl-N-octadecylaniline
CID 177463261
N-heptyl-N-methylaniline
CID 54015540

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentyl)amino]benzaldehyde?
The IUPAC name of 4-[methyl(pentyl)amino]benzaldehyde (CID 43295080) is 4-[methyl(pentyl)amino]benzaldehyde.
What is the SMILES notation for 4-[methyl(pentyl)amino]benzaldehyde?
The canonical SMILES for 4-[methyl(pentyl)amino]benzaldehyde is CCCCCN(C)c1ccc(C=O)cc1.
What is the InChIKey of 4-[methyl(pentyl)amino]benzaldehyde?
The InChIKey is LISIEHHWHQMCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-5-10-14(2)13-8-6-12(11-15)7-9-13/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 4-[methyl(pentyl)amino]benzaldehyde?
4-[methyl(pentyl)amino]benzaldehyde has a molecular weight of 205.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentyl)amino]benzaldehyde is sourced from PubChem (CID 43295080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).